==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-MAY-05 1ZRH . COMPND 2 MOLECULE: HEPARAN SULFATE GLUCOSAMINE 3-O-SULFOTRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.DONG,L.DOMBROVSKI,P.LOPPNAU,M.SUNDSTROM,C.H.ARROWSMITH, . 263 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13795.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 17 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 2 1 2 1 1 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 12 A V 0 0 153 0, 0.0 6,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 111.4 15.2 -6.5 -4.4 2 13 A A > - 0 0 27 4,-2.8 3,-1.8 1,-0.1 0, 0.0 -0.188 360.0-100.8 -72.4 163.3 16.6 -7.5 -1.0 3 14 A P T 3 S+ 0 0 150 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.855 123.5 60.0 -52.3 -36.9 16.0 -11.0 0.5 4 15 A N T 3 S- 0 0 98 1,-0.1 3,-0.1 2,-0.0 -2,-0.0 0.451 122.1-107.8 -70.3 -3.8 13.2 -9.5 2.7 5 16 A G S < S+ 0 0 33 -3,-1.8 2,-0.1 1,-0.3 -1,-0.1 0.408 78.4 128.5 92.4 -1.3 11.3 -8.5 -0.4 6 17 A S + 0 0 4 61,-0.1 -4,-2.8 59,-0.1 -1,-0.3 -0.412 29.7 174.2 -85.6 165.1 12.1 -4.7 -0.0 7 18 A A E -A 66 0A 29 59,-2.5 59,-2.7 -6,-0.2 2,-0.4 -0.961 37.9 -95.2-164.1 153.6 13.6 -2.4 -2.7 8 19 A Q E -A 65 0A 54 -2,-0.3 2,-0.3 57,-0.2 57,-0.2 -0.697 42.5-170.1 -77.7 131.8 14.3 1.3 -3.1 9 20 A Q - 0 0 41 55,-0.6 3,-0.1 -2,-0.4 58,-0.0 -0.916 29.5-104.0-119.2 151.3 11.5 3.1 -5.0 10 21 A L - 0 0 60 -2,-0.3 62,-0.4 1,-0.1 2,-0.1 -0.410 58.3 -86.1 -66.6 149.8 11.5 6.7 -6.4 11 22 A P - 0 0 4 0, 0.0 62,-0.2 0, 0.0 -1,-0.1 -0.392 29.9-161.8 -64.1 137.5 9.5 9.0 -4.1 12 23 A Q S S+ 0 0 89 60,-1.7 85,-1.2 1,-0.2 2,-0.3 0.553 84.3 24.4 -87.6 -14.0 5.7 9.0 -4.8 13 24 A T E -bc 73 97B 2 59,-1.6 61,-0.7 83,-0.1 2,-0.4 -0.988 68.3-162.4-147.4 152.0 5.6 12.2 -2.8 14 25 A I E -bc 74 98B 0 83,-0.8 85,-2.6 -2,-0.3 2,-0.8 -1.000 18.6-140.0-134.2 132.3 8.1 15.0 -2.0 15 26 A I E -bc 75 99B 0 59,-2.8 61,-1.9 -2,-0.4 85,-0.2 -0.861 25.4-177.7 -89.4 109.8 8.0 17.6 0.8 16 27 A I - 0 0 0 83,-2.3 64,-2.5 -2,-0.8 2,-0.3 0.490 31.8-139.7 -93.4 -4.0 9.4 20.6 -1.2 17 28 A G - 0 0 0 82,-0.5 84,-3.1 1,-0.2 -1,-0.3 -0.942 38.2-132.2 138.2-168.7 9.4 23.2 1.5 18 29 A V > - 0 0 0 -2,-0.3 3,-3.1 82,-0.3 4,-0.4 0.542 52.2-116.3 -81.7 154.5 9.0 25.9 2.6 19 30 A R T 3 S+ 0 0 79 58,-0.5 93,-0.1 1,-0.3 -3,-0.0 -0.353 104.3 7.6 -46.2 122.7 12.3 26.4 4.5 20 31 A K T 3 S+ 0 0 26 91,-0.1 -1,-0.3 1,-0.1 91,-0.1 0.556 95.2 119.7 71.3 9.5 11.2 26.7 8.2 21 32 A G S < S- 0 0 1 -3,-3.1 -2,-0.1 80,-0.2 -1,-0.1 0.698 98.6 -85.4 -70.4 -23.4 7.6 25.8 7.3 22 33 A G S > S+ 0 0 25 -4,-0.4 4,-2.4 79,-0.1 5,-0.1 0.604 75.6 152.5 116.5 36.5 7.6 22.7 9.6 23 34 A T H > S+ 0 0 6 -5,-0.4 4,-2.6 2,-0.2 5,-0.1 0.834 72.0 47.2 -69.0 -39.3 9.1 20.2 7.1 24 35 A R H > S+ 0 0 42 2,-0.2 4,-2.8 3,-0.2 5,-0.3 0.932 111.7 50.9 -70.9 -46.6 10.8 17.9 9.6 25 36 A A H > S+ 0 0 17 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.946 114.2 46.0 -49.3 -50.4 7.6 17.8 11.8 26 37 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.926 112.7 48.8 -62.2 -50.3 5.6 16.9 8.6 27 38 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.946 115.3 44.1 -49.5 -54.5 8.1 14.3 7.4 28 39 A E H < S+ 0 0 26 -4,-2.8 4,-0.4 2,-0.2 -2,-0.2 0.887 115.7 47.4 -65.3 -39.6 8.2 12.6 10.9 29 40 A M H >< S+ 0 0 11 -4,-2.5 3,-1.2 -5,-0.3 4,-0.3 0.910 112.0 48.4 -68.0 -46.7 4.4 12.7 11.4 30 41 A L H >< S+ 0 0 0 -4,-2.7 3,-2.0 -5,-0.2 -2,-0.2 0.895 104.1 61.8 -57.5 -40.7 3.6 11.4 7.9 31 42 A S T 3< S+ 0 0 37 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.600 83.1 78.6 -69.8 -6.9 6.1 8.5 8.5 32 43 A L T < S+ 0 0 19 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.761 74.3 97.0 -57.1 -30.3 4.0 7.3 11.4 33 44 A H S X S- 0 0 3 -3,-2.0 3,-2.0 -4,-0.3 -3,-0.0 -0.512 78.9-139.7 -66.8 127.1 1.8 5.8 8.7 34 45 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.741 101.6 56.6 -59.9 -23.1 2.7 2.1 8.2 35 46 A D T 3 S+ 0 0 46 159,-0.1 36,-3.5 35,-0.1 2,-0.5 0.379 94.2 86.7 -88.0 1.7 2.4 2.5 4.4 36 47 A V E < -d 71 0B 13 -3,-2.0 2,-0.5 34,-0.2 36,-0.2 -0.903 54.4-168.5-108.7 132.8 5.0 5.4 4.3 37 48 A A E -d 72 0B 13 34,-2.6 36,-2.1 -2,-0.5 2,-0.4 -0.968 16.6-161.5-113.2 115.5 8.8 5.0 4.0 38 49 A A E -d 73 0B 27 -2,-0.5 2,-0.3 34,-0.2 36,-0.2 -0.825 20.1-127.3-100.0 133.9 10.7 8.3 4.7 39 50 A A - 0 0 6 34,-2.4 36,-0.3 -2,-0.4 24,-0.1 -0.649 22.3-143.7 -66.0 132.4 14.3 9.2 3.8 40 51 A E S S+ 0 0 149 -2,-0.3 2,-0.3 34,-0.1 -1,-0.1 0.828 75.6 47.9 -71.5 -35.6 15.8 10.4 7.1 41 52 A N S S- 0 0 112 1,-0.0 2,-0.3 -3,-0.0 34,-0.3 -0.711 95.3 -95.3-108.2 160.3 18.0 13.1 5.6 42 53 A E - 0 0 72 -2,-0.3 34,-0.2 1,-0.2 -2,-0.1 -0.558 35.8-159.0 -68.0 127.5 17.4 15.9 3.1 43 54 A V - 0 0 15 32,-0.3 -1,-0.2 -2,-0.3 33,-0.1 0.874 1.3-159.9 -86.6 -37.3 18.5 14.5 -0.2 44 55 A H > + 0 0 31 31,-0.1 4,-0.7 3,-0.0 8,-0.2 0.893 37.8 143.7 57.0 46.7 19.1 17.7 -2.2 45 56 A F T 4 + 0 0 0 2,-0.1 7,-0.4 6,-0.1 3,-0.3 0.977 67.8 34.9 -76.3 -57.7 18.9 15.9 -5.5 46 57 A F T 4 S+ 0 0 0 1,-0.2 -1,-0.1 5,-0.1 42,-0.1 0.791 120.5 47.5 -72.2 -26.6 17.2 18.4 -7.8 47 58 A D T 4 S+ 0 0 12 1,-0.1 2,-0.6 36,-0.0 -1,-0.2 0.648 98.6 68.7 -96.7 -19.7 18.8 21.6 -6.3 48 59 A W >X - 0 0 110 -4,-0.7 4,-2.8 -3,-0.3 3,-1.8 -0.919 66.3-152.5-103.4 117.6 22.5 20.6 -6.1 49 60 A E H 3> S+ 0 0 90 -2,-0.6 4,-1.9 1,-0.3 5,-0.2 0.843 97.0 58.8 -52.2 -36.3 24.2 20.2 -9.5 50 61 A E H 34 S+ 0 0 125 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.628 114.2 36.9 -71.6 -15.9 26.7 17.7 -7.9 51 62 A H H X4 S+ 0 0 38 -3,-1.8 3,-1.0 -6,-0.2 -2,-0.2 0.805 115.0 51.8 -93.4 -45.0 23.8 15.5 -7.0 52 63 A Y H >< S+ 0 0 58 -4,-2.8 3,-1.5 -7,-0.4 -2,-0.2 0.783 100.6 62.0 -65.7 -30.4 21.6 16.0 -9.9 53 64 A S T 3< S+ 0 0 93 -4,-1.9 -1,-0.2 1,-0.3 -3,-0.1 0.787 93.2 65.8 -66.9 -25.8 24.3 15.1 -12.5 54 65 A H T <> S- 0 0 107 -3,-1.0 4,-0.7 -5,-0.2 -1,-0.3 0.546 102.6-148.5 -68.5 -11.9 24.5 11.6 -10.9 55 66 A G H X> - 0 0 24 -3,-1.5 4,-1.8 -4,-0.2 3,-1.0 0.135 33.4 -43.2 69.2-178.7 21.0 11.1 -12.3 56 67 A L H 3> S+ 0 0 77 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.741 129.0 62.0 -58.6 -29.2 17.9 9.1 -11.1 57 68 A G H 3> S+ 0 0 54 -3,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.886 106.2 46.3 -64.3 -39.1 19.9 6.0 -10.2 58 69 A W H < S+ 0 0 0 -4,-1.8 3,-1.7 1,-0.2 4,-0.4 0.942 109.8 50.0 -50.6 -53.3 18.4 9.5 -6.4 60 71 A L H >< S+ 0 0 62 -4,-2.9 3,-2.0 1,-0.3 -1,-0.2 0.914 104.2 59.1 -52.6 -44.9 16.9 6.0 -6.0 61 72 A S H 3< S+ 0 0 56 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.680 100.0 56.7 -65.9 -13.6 20.0 4.9 -4.1 62 73 A Q T << S+ 0 0 80 -3,-1.7 -1,-0.3 -4,-0.8 -2,-0.2 0.569 89.7 100.1 -88.7 -8.1 19.3 7.5 -1.4 63 74 A M S < S- 0 0 4 -3,-2.0 -25,-0.1 -4,-0.4 -53,-0.1 -0.401 80.0-107.0 -77.5 151.3 15.8 6.2 -0.7 64 75 A P - 0 0 33 0, 0.0 -55,-0.6 0, 0.0 2,-0.4 -0.351 41.9 -99.0 -65.4 157.6 14.8 4.0 2.2 65 76 A F E +A 8 0A 110 -57,-0.2 2,-0.3 -59,-0.1 -57,-0.2 -0.665 56.4 166.5 -74.9 134.1 14.1 0.3 1.4 66 77 A S E -A 7 0A 1 -59,-2.7 -59,-2.5 -2,-0.4 -31,-0.0 -0.819 35.7-104.6-140.6 176.6 10.3 -0.2 1.1 67 78 A W > - 0 0 112 -2,-0.3 3,-2.3 -61,-0.2 -61,-0.1 -0.731 44.0 -98.2-107.5 157.6 7.8 -2.8 -0.1 68 79 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.0 0, 0.0 -62,-0.0 0.788 119.0 48.9 -52.0 -38.3 5.8 -2.3 -3.4 69 80 A H T 3 S+ 0 0 162 2,-0.1 2,-0.2 0, 0.0 -34,-0.0 0.498 94.2 99.4 -85.1 3.5 2.5 -1.0 -1.9 70 81 A Q S < S- 0 0 37 -3,-2.3 2,-0.5 -34,-0.1 -34,-0.2 -0.484 70.3-128.2 -88.8 153.6 4.3 1.6 0.2 71 82 A L E - d 0 36B 18 -36,-3.5 -34,-2.6 -2,-0.2 2,-0.4 -0.893 18.2-147.9-101.1 129.4 4.8 5.3 -0.5 72 83 A T E - d 0 37B 0 -2,-0.5 -60,-1.7 -62,-0.4 -59,-1.6 -0.742 18.2-175.4 -95.2 137.1 8.3 6.7 -0.4 73 84 A V E -bd 13 38B 0 -36,-2.1 -34,-2.4 -2,-0.4 2,-0.3 -0.971 11.1-174.8-135.1 151.3 8.8 10.3 0.6 74 85 A E E -b 14 0B 0 -61,-0.7 -59,-2.8 -2,-0.3 2,-0.4 -0.956 12.4-149.6-138.8 144.1 11.8 12.7 0.9 75 86 A K E +b 15 0B 2 -2,-0.3 -32,-0.3 -34,-0.3 -59,-0.2 -0.994 24.1 159.7-118.2 126.0 12.0 16.3 2.3 76 87 A T > - 0 0 0 -61,-1.9 3,-1.6 -2,-0.4 4,-0.3 -0.844 21.4-163.0-134.5 102.6 14.4 18.9 1.0 77 88 A P G > S+ 0 0 11 0, 0.0 3,-0.9 0, 0.0 -58,-0.5 0.792 83.1 68.9 -62.9 -25.1 13.1 22.4 1.9 78 89 A A G >> S+ 0 0 29 1,-0.2 4,-0.6 2,-0.1 3,-0.5 0.747 82.1 78.8 -60.7 -24.4 15.4 24.2 -0.7 79 90 A Y G X4 S+ 0 0 0 -3,-1.6 3,-1.2 1,-0.2 6,-0.2 0.873 85.6 55.6 -47.6 -50.4 13.4 22.7 -3.5 80 91 A F G <4 S+ 0 0 1 -64,-2.5 -1,-0.2 -3,-0.9 -2,-0.1 0.843 114.2 37.9 -56.0 -42.5 10.4 25.2 -3.3 81 92 A T G <4 S+ 0 0 27 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.2 0.257 91.9 97.6-101.2 8.0 12.5 28.3 -3.7 82 93 A S X< - 0 0 22 -3,-1.2 3,-1.6 -4,-0.6 -36,-0.0 -0.909 64.0-150.3 -98.3 115.1 15.1 27.0 -6.3 83 94 A P T 3 S+ 0 0 100 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.740 91.4 51.3 -54.9 -32.4 13.9 28.1 -9.8 84 95 A K T 3> S+ 0 0 74 1,-0.2 4,-1.0 2,-0.1 3,-0.1 0.563 93.3 80.1 -83.8 -13.7 15.4 25.1 -11.7 85 96 A V H X> S+ 0 0 0 -3,-1.6 4,-2.5 -6,-0.2 3,-0.6 0.924 80.6 55.2 -66.4 -53.3 13.8 22.5 -9.5 86 97 A P H 3> S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.871 107.6 52.2 -52.3 -38.9 10.2 22.1 -10.6 87 98 A E H 3> S+ 0 0 118 -4,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.852 111.3 47.4 -63.5 -38.5 11.2 21.4 -14.3 88 99 A R H < - 0 0 55 -4,-2.7 3,-1.5 -5,-0.1 -1,-0.2 -0.725 50.8-170.1-160.0 95.6 7.3 12.4 -12.8 94 105 A P T 3 S+ 0 0 60 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.709 93.5 52.8 -60.1 -21.6 4.8 14.8 -14.2 95 106 A S T 3 S+ 0 0 82 -5,-0.1 -5,-0.1 68,-0.1 68,-0.0 0.415 78.1 130.6 -96.8 -0.8 2.1 13.1 -12.1 96 107 A I < - 0 0 3 -3,-1.5 2,-0.4 -7,-0.2 -83,-0.1 -0.187 54.8-130.5 -57.7 147.2 3.8 13.3 -8.7 97 108 A R E -c 13 0B 63 -85,-1.2 -83,-0.8 71,-0.1 2,-0.3 -0.837 27.1-156.0-100.0 134.5 1.8 14.6 -5.7 98 109 A L E -ce 14 168B 0 69,-3.2 71,-3.1 -2,-0.4 2,-0.5 -0.879 11.4-145.9-123.3 149.3 3.7 17.2 -3.7 99 110 A L E -ce 15 169B 0 -85,-2.6 -83,-2.3 -2,-0.3 -82,-0.5 -0.955 15.8-179.0-115.6 125.9 3.5 18.5 -0.1 100 111 A L E - e 0 170B 0 69,-2.6 71,-2.7 -2,-0.5 2,-0.5 -0.986 8.2-162.9-125.5 121.4 4.2 22.2 0.6 101 112 A I E - e 0 171B 0 -84,-3.1 2,-0.4 -2,-0.4 71,-0.2 -0.895 10.5-174.1-110.5 125.1 4.0 23.4 4.3 102 113 A L E - e 0 172B 0 69,-2.4 71,-3.1 -2,-0.5 72,-0.7 -0.940 8.6-168.3-121.8 137.8 3.7 27.1 4.9 103 114 A R - 0 0 30 -2,-0.4 5,-0.1 70,-0.2 159,-0.1 -0.704 54.2 -63.6-105.9 168.1 3.8 29.2 8.1 104 115 A D > - 0 0 1 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.303 55.5-125.8 -43.3 128.6 2.9 32.8 8.6 105 116 A P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.832 107.2 47.5 -63.1 -30.1 5.5 34.6 6.3 106 117 A S H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.884 112.4 48.6 -74.4 -41.8 6.8 36.9 9.1 107 118 A E H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.884 109.5 54.4 -63.1 -38.5 7.0 34.0 11.6 108 119 A R H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.896 106.4 51.3 -62.0 -42.7 8.9 32.0 8.9 109 120 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.935 111.4 46.9 -55.3 -51.2 11.5 34.9 8.5 110 121 A L H X S+ 0 0 13 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.873 112.3 51.2 -63.0 -37.1 12.1 35.0 12.3 111 122 A S H X S+ 0 0 11 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.889 110.0 49.0 -60.9 -41.9 12.4 31.2 12.3 112 123 A D H X S+ 0 0 3 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.945 113.5 46.1 -66.4 -51.9 14.9 31.3 9.4 113 124 A Y H X S+ 0 0 12 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.934 111.7 53.1 -50.8 -51.8 17.0 34.1 11.2 114 125 A T H X S+ 0 0 4 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.914 106.8 51.6 -55.4 -45.7 16.9 32.1 14.5 115 126 A Q H X S+ 0 0 43 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.918 113.7 42.0 -60.8 -46.2 18.1 28.9 13.0 116 127 A V H X S+ 0 0 26 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.899 113.4 54.1 -70.0 -40.3 21.2 30.6 11.4 117 128 A F H X S+ 0 0 50 -4,-3.1 4,-2.6 -5,-0.2 -2,-0.2 0.943 111.1 46.5 -52.4 -49.3 21.8 32.7 14.5 118 129 A Y H X S+ 0 0 80 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.896 106.4 56.3 -65.3 -42.4 21.8 29.4 16.5 119 130 A N H X S+ 0 0 64 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.863 114.1 43.5 -50.3 -40.0 24.1 27.6 14.1 120 131 A H H ><>S+ 0 0 36 -4,-1.9 5,-1.9 2,-0.2 3,-1.0 0.962 106.4 57.5 -72.1 -52.8 26.6 30.5 14.7 121 132 A M H 3<5S+ 0 0 92 -4,-2.6 3,-0.4 1,-0.3 -2,-0.2 0.763 110.4 45.1 -51.6 -35.0 26.3 30.9 18.5 122 133 A Q H 3<5S+ 0 0 135 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.730 110.3 51.6 -81.2 -27.4 27.3 27.3 19.0 123 134 A K T <<5S- 0 0 99 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.306 114.4-121.1 -85.1 7.7 30.2 27.4 16.6 124 135 A H T 5 + 0 0 175 -3,-0.4 -3,-0.2 -4,-0.3 -4,-0.1 0.685 67.9 137.2 55.2 26.5 31.3 30.6 18.6 125 136 A K < - 0 0 110 -5,-1.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.637 58.0-105.5 -91.7 154.4 31.1 32.8 15.4 126 137 A P - 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.429 33.8-171.1 -71.7 154.3 29.5 36.3 15.3 127 138 A Y - 0 0 51 -2,-0.1 -10,-0.0 -7,-0.0 -11,-0.0 -0.982 25.4-111.3-143.2 133.1 26.1 36.8 13.7 128 139 A P - 0 0 47 0, 0.0 2,-0.1 0, 0.0 5,-0.0 -0.155 38.9-100.7 -56.9 161.9 24.3 40.1 12.9 129 140 A S >> - 0 0 53 1,-0.1 4,-0.9 -12,-0.0 3,-0.7 -0.452 30.6-112.6 -72.0 157.2 21.2 41.1 14.8 130 141 A I H >> S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 3,-0.7 0.869 119.0 59.3 -62.7 -32.7 17.9 40.6 13.1 131 142 A E H 3> S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.813 97.9 60.3 -61.5 -32.1 17.5 44.4 12.9 132 143 A E H <4 S+ 0 0 128 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.822 113.8 35.5 -64.0 -33.4 20.7 44.5 10.9 133 144 A F H << S+ 0 0 48 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.851 121.8 45.6 -83.5 -40.5 19.1 42.3 8.2 134 145 A L H < S+ 0 0 0 -4,-2.6 7,-3.9 -5,-0.2 2,-0.5 0.774 108.9 55.5 -80.4 -27.6 15.6 43.7 8.4 135 146 A V E < +F 140 0C 56 -4,-2.4 2,-0.4 5,-0.3 5,-0.2 -0.923 53.8 167.0-120.9 124.7 16.3 47.5 8.5 136 147 A R E > S-F 139 0C 108 3,-2.9 3,-1.8 -2,-0.5 6,-0.1 -0.992 75.5 -10.4-134.0 124.3 18.3 49.5 5.9 137 148 A D T 3 S- 0 0 148 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.906 127.4 -57.5 56.3 44.8 18.4 53.3 5.7 138 149 A G T 3 S+ 0 0 75 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.564 121.9 97.5 62.9 10.4 15.5 53.5 8.3 139 150 A R E < S-F 136 0C 194 -3,-1.8 -3,-2.9 1,-0.0 -1,-0.2 -0.883 89.6 -83.8-124.9 154.5 13.3 51.4 6.0 140 151 A L E -F 135 0C 22 -2,-0.3 2,-1.1 -5,-0.2 -5,-0.3 -0.406 49.1-121.0 -53.2 129.1 12.3 47.7 5.8 141 152 A N > - 0 0 21 -7,-3.9 3,-1.4 1,-0.2 6,-0.2 -0.652 30.0-177.4 -82.6 98.7 15.1 45.9 3.9 142 153 A V T 3 S+ 0 0 73 -2,-1.1 -1,-0.2 1,-0.3 -8,-0.1 0.579 78.1 64.8 -73.7 -10.9 13.5 44.3 0.9 143 154 A D T 3 + 0 0 114 -10,-0.1 2,-0.6 4,-0.1 -1,-0.3 0.415 68.8 117.2 -91.8 -0.4 16.8 42.7 -0.3 144 155 A Y X> - 0 0 25 -3,-1.4 3,-1.7 1,-0.2 4,-0.8 -0.633 65.5-142.4 -65.2 114.9 17.0 40.5 2.9 145 156 A K H 3> S+ 0 0 127 -2,-0.6 4,-1.6 1,-0.3 3,-0.4 0.792 94.9 66.7 -55.2 -36.5 16.8 37.0 1.3 146 157 A A H 3> S+ 0 0 1 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.840 98.4 54.6 -55.2 -31.8 14.7 35.6 4.1 147 158 A L H <> S+ 0 0 0 -3,-1.7 4,-0.5 1,-0.2 3,-0.4 0.867 103.7 54.3 -69.4 -41.2 11.9 37.9 3.0 148 159 A N H >< S+ 0 0 54 -4,-0.8 3,-1.0 -3,-0.4 -1,-0.2 0.847 103.1 56.1 -60.5 -34.1 12.1 36.6 -0.6 149 160 A R H 3< S+ 0 0 41 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.798 105.7 53.1 -73.6 -21.3 11.6 33.0 0.7 150 161 A S H 3< S+ 0 0 0 -4,-0.8 2,-2.2 -3,-0.4 -1,-0.3 0.541 79.8 94.7 -88.0 -7.4 8.4 34.2 2.4 151 162 A L XX + 0 0 24 -3,-1.0 4,-1.2 -4,-0.5 3,-1.1 -0.513 55.9 173.7 -78.7 71.9 7.0 35.6 -0.9 152 163 A Y H 3> + 0 0 4 -2,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.773 65.6 62.1 -56.6 -37.2 5.2 32.3 -1.4 153 164 A H H 3> S+ 0 0 31 95,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.844 101.9 53.2 -57.3 -37.7 3.2 33.5 -4.6 154 165 A V H <> S+ 0 0 55 -3,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.944 115.2 38.7 -64.2 -50.9 6.5 34.0 -6.5 155 166 A H H X S+ 0 0 17 -4,-1.2 4,-1.4 1,-0.2 3,-0.2 0.925 114.4 54.6 -70.1 -39.2 7.7 30.4 -5.7 156 167 A M H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.855 102.6 56.9 -59.4 -40.9 4.3 28.9 -6.1 157 168 A Q H X S+ 0 0 88 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.902 103.4 54.6 -59.9 -39.8 3.9 30.4 -9.6 158 169 A N H < S+ 0 0 38 -4,-1.2 3,-0.4 -3,-0.2 4,-0.2 0.882 111.3 44.2 -61.6 -37.6 7.2 28.6 -10.6 159 170 A W H >X S+ 0 0 1 -4,-1.4 4,-2.0 1,-0.2 3,-1.9 0.892 107.6 59.6 -72.6 -39.9 5.7 25.2 -9.5 160 171 A L H 3< S+ 0 0 45 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.628 89.8 69.9 -67.3 -14.1 2.4 25.9 -11.2 161 172 A R T 3< S+ 0 0 170 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.732 118.8 21.0 -66.6 -22.4 4.1 26.2 -14.6 162 173 A F T <4 S+ 0 0 64 -3,-1.9 -2,-0.2 -4,-0.2 -1,-0.1 0.615 121.8 48.6-120.8 -25.2 4.7 22.4 -14.3 163 174 A F S < S- 0 0 3 -4,-2.0 -1,-0.2 -68,-0.0 2,-0.1 -0.970 79.5-113.2-127.0 140.2 2.2 20.9 -11.9 164 175 A P > - 0 0 68 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.423 29.6-116.2 -70.4 149.4 -1.5 21.3 -11.5 165 176 A L G > S+ 0 0 48 1,-0.3 3,-1.5 2,-0.2 -5,-0.0 0.830 112.6 59.0 -48.9 -40.4 -2.9 23.1 -8.4 166 177 A R G 3 S+ 0 0 172 1,-0.3 -1,-0.3 3,-0.1 3,-0.0 0.621 99.3 59.3 -75.4 -8.3 -4.7 20.0 -7.2 167 178 A H G < S+ 0 0 48 -3,-2.1 -69,-3.2 1,-0.1 2,-0.6 0.334 92.9 72.2-101.9 3.1 -1.4 18.0 -7.0 168 179 A I E < S-e 98 0B 4 -3,-1.5 2,-0.6 -4,-0.2 -69,-0.2 -0.926 71.7-159.5-115.9 109.3 0.3 20.3 -4.6 169 180 A H E -e 99 0B 30 -71,-3.1 -69,-2.6 -2,-0.6 2,-0.7 -0.766 8.1-146.3 -89.2 124.8 -1.2 20.0 -1.1 170 181 A I E -e 100 0B 10 -2,-0.6 2,-0.4 -71,-0.2 -69,-0.2 -0.805 7.8-154.5 -93.4 113.6 -0.6 23.0 1.1 171 182 A V E -e 101 0B 0 -71,-2.7 -69,-2.4 -2,-0.7 2,-1.1 -0.732 19.5-127.6 -83.1 129.6 -0.2 22.1 4.8 172 183 A D E > -e 102 0B 11 -2,-0.4 4,-2.0 -71,-0.2 -69,-0.2 -0.759 24.3-168.4 -79.1 101.1 -1.1 25.0 7.1 173 184 A G H > S+ 0 0 1 -71,-3.1 4,-1.6 -2,-1.1 -70,-0.2 0.803 83.5 55.9 -65.7 -35.8 2.1 25.0 9.2 174 185 A D H > S+ 0 0 6 -72,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.940 111.0 45.1 -60.7 -47.6 0.6 27.4 11.8 175 186 A R H > S+ 0 0 135 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.866 107.3 57.8 -62.7 -37.8 -2.2 24.9 12.4 176 187 A L H < S+ 0 0 9 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.861 107.5 49.5 -58.4 -40.2 0.2 21.9 12.4 177 188 A I H < S+ 0 0 60 -4,-1.6 34,-0.4 2,-0.2 -2,-0.2 0.948 117.7 38.5 -62.0 -49.8 1.9 23.7 15.4 178 189 A R H < S- 0 0 138 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.859 142.5 -4.2 -70.1 -41.3 -1.3 24.3 17.3 179 190 A D X - 0 0 89 -4,-3.1 4,-0.6 -5,-0.1 -1,-0.2 -0.661 67.9-178.9-160.7 83.8 -3.1 21.0 16.6 180 191 A P H >> + 0 0 2 0, 0.0 4,-1.9 0, 0.0 3,-1.0 0.847 67.7 71.2 -64.8 -41.0 -1.2 18.7 14.2 181 192 A F H 3> S+ 0 0 37 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.853 96.1 50.6 -53.0 -49.0 -3.6 15.7 13.8 182 193 A P H 3> S+ 0 0 45 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.848 112.7 48.3 -56.3 -33.3 -6.3 17.4 11.8 183 194 A E H S+ 0 0 6 -4,-2.4 5,-2.8 2,-0.2 4,-0.3 0.933 112.9 48.7 -57.9 -43.8 -3.5 11.2 4.4 189 200 A R H ><5S+ 0 0 183 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.932 111.0 49.2 -60.9 -46.8 -6.6 12.1 2.4 190 201 A F H 3<5S+ 0 0 20 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.900 113.6 46.2 -59.5 -40.3 -4.6 13.9 -0.3 191 202 A L T 3<5S- 0 0 16 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.462 112.6-120.5 -85.4 0.9 -2.3 11.0 -0.6 192 203 A K T < 5 + 0 0 146 -3,-1.4 2,-0.4 -4,-0.3 -3,-0.2 0.835 60.7 152.5 61.7 34.9 -5.2 8.5 -0.7 193 204 A L < - 0 0 17 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.796 51.9-104.6 -93.5 141.5 -3.8 6.7 2.4 194 205 A S - 0 0 59 -2,-0.4 2,-2.7 1,-0.1 3,-0.3 -0.220 43.7 -98.7 -56.9 146.4 -6.0 4.8 4.8 195 206 A P S S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 -0.379 71.0 141.5 -68.9 69.1 -6.6 6.7 8.2 196 207 A Q + 0 0 94 -2,-2.7 2,-0.1 2,-0.1 -2,-0.1 0.792 43.6 86.5 -83.4 -29.3 -4.0 4.8 10.1 197 208 A I - 0 0 3 -3,-0.3 2,-0.3 -13,-0.1 -164,-0.0 -0.483 64.5-160.6 -74.3 144.0 -2.7 7.8 12.2 198 209 A N > - 0 0 87 -2,-0.1 3,-2.4 1,-0.1 4,-0.2 -0.884 34.0-114.6-125.7 154.8 -4.6 8.6 15.4 199 210 A A G > S+ 0 0 63 -2,-0.3 3,-1.5 1,-0.3 -18,-0.1 0.835 116.0 67.2 -54.2 -28.6 -4.9 11.6 17.7 200 211 A S G 3 S+ 0 0 83 1,-0.3 -1,-0.3 13,-0.0 -3,-0.0 0.586 82.0 72.1 -72.9 -9.6 -3.1 9.3 20.2 201 212 A N G < S+ 0 0 19 -3,-2.4 13,-3.1 12,-0.1 2,-0.4 0.526 96.6 63.0 -76.5 -5.0 0.1 9.4 18.2 202 213 A F E < +G 213 0D 18 -3,-1.5 2,-0.3 11,-0.2 11,-0.2 -0.963 58.6 172.2-122.7 136.7 0.6 13.0 19.3 203 214 A Y E -G 212 0D 45 9,-2.5 9,-2.9 -2,-0.4 2,-0.5 -1.000 34.4-113.7-141.5 145.9 1.1 14.5 22.8 204 215 A F E -G 211 0D 101 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.619 24.2-155.6 -77.8 121.8 1.9 18.0 24.0 205 216 A N E >> -G 210 0D 42 5,-2.1 4,-3.1 -2,-0.5 5,-1.0 -0.883 1.8-161.4-100.4 117.4 5.3 18.2 25.7 206 217 A K T 45S+ 0 0 189 -2,-0.7 -1,-0.2 1,-0.2 5,-0.0 0.849 91.3 49.0 -70.6 -33.4 5.4 21.2 28.1 207 218 A T T 45S+ 0 0 141 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.953 117.2 41.4 -67.2 -45.7 9.2 21.4 28.2 208 219 A K T 45S- 0 0 47 2,-0.2 -2,-0.2 1,-0.1 -1,-0.2 0.896 96.7-142.6 -68.0 -38.8 9.4 21.3 24.4 209 220 A G T <5S+ 0 0 37 -4,-3.1 2,-0.3 1,-0.3 -3,-0.2 0.625 73.1 77.9 78.6 18.2 6.4 23.7 24.0 210 221 A F E - H 0 218D 74 3,-2.8 3,-1.5 -2,-0.4 -14,-0.1 -0.798 65.4 -33.3-153.4 110.3 4.2 5.2 18.5 216 227 A S T 3 S- 0 0 118 -2,-0.3 3,-0.1 1,-0.3 -15,-0.0 0.940 126.2 -36.0 45.0 64.2 4.0 1.6 19.9 217 228 A G T 3 S+ 0 0 85 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.050 116.5 108.4 86.8 -24.8 5.7 2.4 23.3 218 229 A R E < -H 215 0D 190 -3,-1.5 -3,-2.8 2,-0.0 2,-0.4 -0.727 48.5-164.3 -95.3 133.9 8.3 4.9 21.9 219 230 A D E +H 214 0D 73 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.955 14.3 172.0-114.0 130.0 8.0 8.6 22.7 220 231 A R E -H 213 0D 90 -7,-2.9 -7,-3.3 -2,-0.4 2,-0.2 -0.980 17.5-164.7-146.4 132.1 10.0 11.2 20.6 221 232 A a - 0 0 37 -2,-0.3 -9,-0.1 -9,-0.3 2,-0.1 -0.594 41.0 -93.1 -95.1 166.0 10.2 15.0 20.3 222 233 A L - 0 0 37 -11,-0.3 -1,-0.1 -2,-0.2 -12,-0.1 -0.422 57.9 -86.3 -73.0 159.4 11.8 16.8 17.4 223 234 A H > - 0 0 155 -2,-0.1 3,-2.1 1,-0.1 -1,-0.2 -0.008 42.5 -88.4 -69.4 174.3 15.5 17.7 18.0 224 235 A E T 3 S+ 0 0 151 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.819 122.7 59.5 -49.7 -45.9 17.0 20.7 19.7 225 236 A S T 3 S+ 0 0 53 1,-0.1 2,-0.6 3,-0.0 3,-0.4 0.641 92.7 83.2 -62.1 -16.7 17.1 22.8 16.4 226 237 A K S < S+ 0 0 47 -3,-2.1 -4,-0.1 1,-0.2 -1,-0.1 -0.819 93.6 16.6-102.0 117.5 13.3 22.5 16.1 227 238 A G S S+ 0 0 39 -2,-0.6 2,-0.4 1,-0.2 -1,-0.2 0.896 81.0 172.6 92.2 53.8 11.0 24.9 18.0 228 239 A R - 0 0 77 -3,-0.4 -1,-0.2 -117,-0.1 2,-0.1 -0.773 38.7-102.1-100.3 140.1 13.6 27.7 18.9 229 240 A A - 0 0 79 -2,-0.4 -1,-0.1 1,-0.1 -2,-0.0 -0.335 37.6-133.4 -61.2 125.8 12.7 31.0 20.6 230 241 A H - 0 0 63 1,-0.1 -119,-0.1 -2,-0.1 -1,-0.1 -0.390 30.4 -90.4 -76.1 157.8 12.6 33.9 18.0 231 242 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.357 41.4-103.9 -66.7 149.4 14.4 37.2 18.8 232 243 A Q - 0 0 171 -2,-0.0 2,-0.4 3,-0.0 0, 0.0 -0.607 43.4-168.1 -63.5 129.3 12.5 40.0 20.5 233 244 A V - 0 0 12 -2,-0.3 5,-0.1 -3,-0.1 -3,-0.0 -0.996 29.7-101.2-130.3 132.0 11.7 42.5 17.7 234 245 A D >> - 0 0 90 -2,-0.4 4,-2.4 1,-0.1 3,-0.6 -0.269 32.2-125.0 -45.6 128.4 10.3 46.1 18.3 235 246 A P H 3> S+ 0 0 102 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.765 110.2 57.0 -47.7 -38.2 6.5 46.1 17.7 236 247 A K H 3> S+ 0 0 171 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.907 111.6 41.9 -65.1 -40.2 6.9 48.9 15.1 237 248 A L H <> S+ 0 0 23 -3,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.911 113.5 52.3 -71.2 -43.1 9.4 46.8 13.1 238 249 A L H X S+ 0 0 52 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.870 109.1 52.6 -59.1 -39.8 7.2 43.6 13.5 239 250 A N H X S+ 0 0 78 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.890 106.8 49.4 -62.3 -44.6 4.3 45.6 12.3 240 251 A K H X S+ 0 0 97 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.806 110.3 52.7 -62.8 -36.0 6.1 46.8 9.1 241 252 A L H X S+ 0 0 1 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.948 109.9 48.4 -62.7 -50.8 7.1 43.2 8.5 242 253 A H H < S+ 0 0 33 -4,-2.3 4,-0.4 1,-0.2 3,-0.3 0.898 113.1 47.5 -52.2 -48.0 3.5 42.1 8.8 243 254 A E H >X S+ 0 0 95 -4,-2.4 3,-1.0 1,-0.2 4,-0.6 0.823 102.9 62.8 -65.1 -38.7 2.4 44.9 6.4 244 255 A Y H 3< S+ 0 0 63 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.903 106.3 45.6 -53.8 -41.4 5.0 44.1 3.9 245 256 A F T 3X S+ 0 0 1 -4,-1.4 4,-3.0 -3,-0.3 -1,-0.2 0.592 88.0 89.5 -81.0 -9.2 3.5 40.6 3.4 246 257 A H H <> S+ 0 0 75 -3,-1.0 4,-2.2 -4,-0.4 -1,-0.2 0.929 92.8 39.6 -60.2 -48.3 -0.2 41.7 3.1 247 258 A E H X S+ 0 0 126 -4,-0.6 4,-2.0 -3,-0.3 -1,-0.2 0.908 117.8 46.7 -66.6 -49.1 -0.3 42.3 -0.7 248 259 A P H > S+ 0 0 16 0, 0.0 4,-2.0 0, 0.0 -95,-0.2 0.837 110.9 55.9 -59.6 -34.3 1.9 39.2 -1.6 249 260 A N H X S+ 0 0 7 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.946 107.1 47.8 -60.3 -48.4 -0.3 37.2 0.8 250 261 A K H X S+ 0 0 130 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.898 110.5 51.7 -57.9 -44.2 -3.5 38.3 -1.1 251 262 A K H X S+ 0 0 95 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.880 111.7 48.0 -56.5 -41.0 -1.7 37.3 -4.4 252 263 A F H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.934 110.8 50.4 -65.3 -48.1 -0.9 33.9 -2.9 253 264 A F H X>S+ 0 0 32 -4,-2.8 4,-1.2 1,-0.2 5,-1.0 0.880 111.9 47.8 -57.4 -41.6 -4.5 33.5 -1.7 254 265 A E H <5S+ 0 0 169 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.821 112.0 50.6 -71.4 -33.6 -5.9 34.3 -5.1 255 266 A L H <5S+ 0 0 67 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.848 119.0 34.1 -71.7 -37.6 -3.5 31.9 -6.8 256 267 A V H <5S- 0 0 5 -4,-2.2 -2,-0.2 2,-0.3 -1,-0.2 0.514 104.6-121.2-101.2 -5.2 -4.2 28.9 -4.7 257 268 A G T <5S+ 0 0 67 -4,-1.2 2,-0.3 -5,-0.2 -3,-0.2 0.705 80.1 73.8 72.0 23.0 -8.0 29.5 -4.0 258 269 A R < - 0 0 83 -5,-1.0 -2,-0.3 -6,-0.2 2,-0.2 -0.986 66.8-129.5-157.2 164.9 -7.9 29.7 -0.2 259 270 A T - 0 0 106 -2,-0.3 2,-0.4 -3,-0.1 -9,-0.0 -0.654 10.2-149.0-113.5 163.8 -6.8 32.0 2.6 260 271 A F - 0 0 11 -2,-0.2 2,-1.7 -11,-0.0 -7,-0.1 -0.958 30.3-111.0-131.2 149.6 -4.6 31.4 5.7 261 272 A D + 0 0 135 -2,-0.4 2,-0.2 -157,-0.0 -157,-0.1 -0.540 61.7 152.2 -85.6 79.5 -5.0 33.2 9.0 262 273 A W 0 0 25 -2,-1.7 -2,-0.0 1,-0.1 -158,-0.0 -0.643 360.0 360.0-108.9 164.2 -1.8 35.3 8.9 263 274 A H 0 0 84 -2,-0.2 -1,-0.1 0, 0.0 -157,-0.1 -0.155 360.0 360.0 -57.7 360.0 -0.7 38.7 10.3